trimethyl-[4-[4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]silane

C48H37N3OSi — CID 164797867

About trimethyl-[4-[4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]silane

trimethyl-[4-[4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]silane (PubChem CID 164797867) has the molecular formula C48H37N3OSi and a molecular weight of 699.93 g/mol. Its IUPAC name is trimethyl-[4-[4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]silane.

Molecular Properties

• Compound Name: trimethyl-[4-[4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]silane
• PubChem CID: 164797867
• Molecular Formula: C48H37N3OSi
• Molecular Weight: 699.93 g/mol
• Exact Mass: 699.27
• IUPAC Name: trimethyl-[4-[4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]silane
• SMILES: C[Si](C)(C)c1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc4c(c3)oc3cccc(-c5ccc(-c6ccccc6)cc5)c34)n2)cc1
• InChI: InChI=1S/C48H37N3OSi/c1-53(2,3)40-28-25-38(26-29-40)47-49-46(37-23-19-35(20-24-37)33-13-8-5-9-14-33)50-48(51-47)39-27-30-42-44(31-39)52-43-16-10-15-41(45(42)43)36-21-17-34(18-22-36)32-11-6-4-7-12-32/h4-31H,1-3H3
• InChIKey: XZPPTVSILLSTLV-UHFFFAOYSA-N
• XLogP: 12.32
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	699.93
LogP ≤ 5	12.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-[4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]silane?

The IUPAC name of trimethyl-[4-[4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]silane (CID 164797867) is trimethyl-[4-[4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]silane.

What is the SMILES notation for trimethyl-[4-[4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]silane?

The canonical SMILES for trimethyl-[4-[4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]silane is C[Si](C)(C)c1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc4c(c3)oc3cccc(-c5ccc(-c6ccccc6)cc5)c34)n2)cc1.

What is the InChIKey of trimethyl-[4-[4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]silane?

The InChIKey is XZPPTVSILLSTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37N3OSi/c1-53(2,3)40-28-25-38(26-29-40)47-49-46(37-23-19-35(20-24-37)33-13-8-5-9-14-33)50-48(51-47)39-27-30-42-44(31-39)52-43-16-10-15-41(45(42)43)36-21-17-34(18-22-36)32-11-6-4-7-12-32/h4-31H,1-3H3.

What are the key properties of trimethyl-[4-[4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]silane?

trimethyl-[4-[4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]silane has a molecular weight of 699.93 g/mol, XLogP of 12.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[4-[4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]silane is sourced from PubChem (CID 164797867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).